Month: November 2022

Namkoong, Yon published the artcileElectrochemiluminescent detection of glucose in human serum by BODIPY-based chemodosimeters for hydrogen peroxide using accelerated self-immolation of boronates, Safety of 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the publication is Chemical Communications (Cambridge, United Kingdom) (2020), 56(55), 7577-7580, database is CAplus and MEDLINE.

BODIPY-based ECL chemodosimeters were developed for the detection of hydrogen peroxide. The reactivity of boronate towards hydrogen peroxide was enhanced by adjacent fluorine atoms. In combination with glucose oxidase, a fluorine-substituted probe successfully quantified the glucose level in human serum, providing its potential as a versatile tool in point-of-care testing applications.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1029439-49-3. 1029439-49-3 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Boronic acid and ester,Benzyl bromide,Benzene,Boronate Esters,Boronic acid and ester,, name is 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C13H17BBrFO2, Safety of 2-(4-(Bromomethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Yoakim, Christiane published the artcileβ-Lactam Derivatives as Inhibitors of Human Cytomegalovirus Protease, COA of Formula: C8H6BrF3S, the publication is Journal of Medicinal Chemistry (1998), 41(15), 2882-2891, database is CAplus and MEDLINE.

The development of novel monobactam inhibitors of HCMV protease incorporating a carbon side chain at C-4 and a urea function at N-1 is described. Substitution with small groups at the C-3 position of the β-lactam ring gave an increase in enzymic activity and in stability; however, a lack of selectivity against other serine proteases was noted. The use of both tri- and tetrasubstituted urea functionalities gave effective inhibitors of HCMV protease. Benzyl substitution of the urea moiety was beneficial, especially when strong electron-withdrawing groups where attached at the para position. Modest antiviral activity was found in a plaque reduction assay.

Journal of Medicinal Chemistry published new progress about 21101-63-3. 21101-63-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,sulfides,Benzyl bromide,Benzene, name is (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, and the molecular formula is C9H8BNO2, COA of Formula: C8H6BrF3S.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Namba, Yoshiyuki published the artcileCrystal structure and the molecular behavior of 2,3-dibromo-2,3-dimethylbutane at room temperature, Name: 2,3-Dibromo-2,3-dimethylbutane, the publication is Bulletin of the Chemical Society of Japan (1970), 43(3), 677-81, database is CAplus.

The crystal structure of 2,3-dibromo-2,3-dimethylbutane at room temperature has a disordered nature. In the crystal, trans-form mols. have at least 4 orientations of equal statistical weight around the axes parallel to the [001] direction. Therefore, in spite of the low symmetry of the mol., the crystal belongs to the tetragonal system and has the space group of I4/mmm, while a = 7.38, c = 8.12 Å, and Z = 2.

Bulletin of the Chemical Society of Japan published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, Name: 2,3-Dibromo-2,3-dimethylbutane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Koide, Tsutomu published the artcileDielectric study of solid 2,3-dibromo-2,3-dimethylbutane, Formula: C6H12Br2, the publication is Nippon Kagaku Zasshi (1970), 91(7), 622-5, database is CAplus.

The dielec. constant (D) of a crystal of 2,3-dibromo-2,3-dimethyl-butane was measured at 5-100 kHz at -170 to 100°. The measurements were made with an a.c. bridge. The sample was made by pressing crystal powder. The compactness was 0.98. No significant change of D was found at the transition point of -90°, while remarkable change was observed at another transition point of 70-80°. At -90 to 70°, D was ∼2.6. The theoretical value of D was calculated by the equation of Froelich, the result of which showed that the trans model was more favorable than the model of trans-gauche equilibrium

Nippon Kagaku Zasshi published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, Formula: C6H12Br2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Martinez, Gabriel Espinosa published the artcileAccessing Pincer Bis(carbene) Ni(IV) Complexes from Ni(II) via Halogen and Halogen Surrogates, SDS of cas: 111865-47-5, the publication is Journal of the American Chemical Society (2016), 138(13), 4290-4293, database is CAplus and MEDLINE.

This communication describes the two-electron oxidation of (^DIPPCCC)NiX (^DIPPCCC = bis(diisopropylphenyl-benzimidazol-2-ylidene)phenyl; X = Cl or Br) with halogen and halogen surrogates to form (^DIPPCCC)NiX₃. These complexes represent a rare oxidation state of Ni, as well as an unprecedented reaction pathway to access these species through Br₂ and halogen surrogate (benzyltrimethylammonium tribromide). The Ni(IV) complexes were characterized by a suite of spectroscopic techniques and can readily reduce to the Ni(II) counterpart, allowing for cycling between the Ni(II)/Ni(IV) oxidation states.

Journal of the American Chemical Society published new progress about 111865-47-5. 111865-47-5 belongs to bromides-buliding-blocks, auxiliary class Benzenes, name is Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, and the molecular formula is C10H16Br3N, SDS of cas: 111865-47-5.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Akagi, Katsuhiko published the artcileRelative reactivities of organic halides in displacement reactions. V. Effect of substituent on the reactivity of ω-substituted primary alkyl halides in the reaction with sodium thiosulfate, Category: bromides-buliding-blocks, the publication is Journal of the American Chemical Society (1956), 4034-7, database is CAplus.

Br(CH₂)₃SEt, b₅ 54-6°, n_D²⁰ 1.5113 (obtained from Br(CH₂)₃Br and NaSEt in poor yield) oxidized with 30% H₂O₂ in AcOH yielded 66% Br(CH₂)₃SO₂Et (XIX), b₄ 140°. Similarly was prepared Br(CH₂)₂SO₂Et (XX), b_3.5 126-8°. The rate constants for the reaction with Na₂S₂O₃ in 50% EtOH were determined by the method of Crowell and Hammett (C.A. 43, 1632h) for the following compounds (k × 10³ 1./mole/sec. at the temperatures indicated in parentheses, and heat and entropy of activation in kcal./mole and e.u., resp., given): EtBr, 0.298 ± 0.003 (12.3°), 1.07 ± 0.01 (24.9°), 3.33 ± 0.03 (37.3°), 16.2, -15.7; PrBr, 0.175 ± 0.001 (12.3°), 0.631 ± 0.004 (24.9°), 1.94 ± 0.02 (37.3°), 16.2, -16.9; BuBr, 0.132 ± 0.001 (12.3°) 0.465 ± 0.003 (24.9°), 1.47 ± 0.01 (37.3°), 16.1, -17.5; Br(CH₂)₂OEt (b₇₆₀ 125°), 0.344 ± 0.002 (37.3°), 1.16 ± 0.02 (49.8°), 3.44 ± 0.02 (62.5°), 18.3, -13.7°; Br(CH₂)₃OEt, 0.407 ± 0.003 (24.9°), 1.36 ± 0.01 (37.3°), 4.04 ± 0.02 (49.8°), 17.0, -15.0; (BrCH₂)₄OEt, 0.726 ± 0.007 (24.9°), 2.35 ± 0.02 (37.3°), 6.74 ± 0.06 (49.8°), 16.5, -15.6; Br(CH₂)₂Cl, 0.107 ± 0.002 (24.9°), 0.376 ± 0.003 (37.3°), 1.26 ± 0.01 (49.8°), 18.3, -13.5°; Cl(CH₂)₃Br, 0.405 ± 0.002 (24.9°), 1.35 ± 0.01 (37.3°), 4.26 ± 0.01 (49.8°), 17.4, -13.6; Br(CH₂)₄Cl, (b₁₁₀ 103-4°), 0.197 ± 0.002 (12.3°), 0.734 ± 0.002 (24.9°), 2.33 ± 0.01 (37.3°), 16.6, -15.0; XX, 0.722 ± 0.011 (24.9°), 2.60 ± 0.05 (37.3°), 8.08 ± 0.18 (49.8°), 19.2, -9.2; Br(CH₂)₃SO₂Et (b₄ 140°), 3.58 ± 0.11 (24.9°), 12.3 ± 0.3 (37.3°), 33.3 ± 0.1 (49.8°), 17.2, -12.3°; Ph(CH₂)₃Br, 0.890 ± 0.006 (37.3°), 3.24 ± 0.03 (49.8°), 8.47 ± 0.01 (62.5°), 17.9, -13.0; Ph(CH₂)₃Br, 0.417 ± 0.002 (24.9°), 1.53 ± 0.02 (37.3°), 4.65 ± 0.03 (49.8°), 17.9, -12.0; Ph(CH₂)₄Br, 1.36 ± 0.02 (37.3°), 4.34 ± 0.02 (49.8°), 12.8 ± 0.1 (62.5°), 17.8, -12.4; CH₂:CHCH₂Cl, 0.932 ± 0.01 (12.2°), 2.51 ± 0.04 (24.6°), 7.33 ± 0.03 (37.4°), 13.8, -21.7°; trans-CHCl:CHCH₂Cl (b₇₆₀ 111°, n_D²⁰ 1.4751), 1.60 ± 0.08 (12.2°), 4.94 ± 0.05 (24.6°), 13.7 ± 0.1 (37.4°), 14.5, -18.3; cis-CHCl:CHCH₂Cl (b₇₆₀ 104°, n_D²⁰ 1.4687), 2.59 ± 0.03 (12.2°), 7.42 ± 0.07 (24.6°), 21.6 ± 0.5 (37.4°), 14.4, -17.7; ClCH:CHCO₂Et, 1.71 ± 0.07 (12.3°), 5.36 ± 0.21 (24.9°), 18.0 ± 0.6 (37.3°), 15.8, -13.7.

Journal of the American Chemical Society published new progress about 16523-02-7. 16523-02-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Sulfone,Aliphatic hydrocarbon chain, name is 2-Bromoethyl Methyl Sulfone, and the molecular formula is C3H7BrO2S, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Shepard, Edwin R. published the artcilePapaverine analogs. IV. 1-Cycloalkyl-6,7-dimethoxyisoquinolines, Related Products of bromides-buliding-blocks, the publication is Journal of Organic Chemistry (1954), 415-18, database is CAplus.

cf. C.A. 47, 9970f. A number of 1-cycloalkylisoquinolines related to papaverine have been prepared for pharmacol. evaluation. Reduction of 120 g. Et cyclopentylacetate in 120 cc. ether with 20 g. LiAlH₄ in 100 cc. ether gives 82% β-cyclopentylethanol, b₂₃ 94-5°, which (72 g.), treated with an excess of anhydrous HBr, gives 99% β-cyclopentylethyl bromide (I), b₁₉ 76-8°. Adding 111 g. I to 62 g. NaCN in 125 cc. H₂O and 250 cc. Methyl Cellosolve with stirring and refluxing, refluxing the mixture 6 hrs., diluting it with H₂O, and extracting with ether give 80% β-cyclopentylpropionitrile, b₁₉ 98-100°, n_D²⁵ 1.4490, which (40 g.), refluxed 12 hrs. with 300 cc. 25% NaOH, gives 92% β-cyclopentylpropionic acid, b₁₄ 134-6°. Heating 36.2 g. homoveratrylamine and 22.8 g. cyclopentanecarboxylic acid 1 hr. at 190-200° in an open flask gives 73% N-homoveratrylcyclopentanecarboxamide, m. 95.5-6.5°. Similarly are prepared: N-homoveratrylcyclopentylacetamide, 90%, m. 88-9°; N-homoveratryl-β-cyclopentylpropionamide, 85%, m. 89-90°; N-homoveratrylcyclohexanecarboxamide, 84%, m. 111.5-12.5°; N-homoveratryl-β-cyclohexylpropionamide, 77%, m. 94.5-5.5°. These amides are converted into the following 1-cycloalkyl-6,7-dimethoxyisoquinolines-HCl according to the method described earlier: 1-cyclopentyl, 64%, m. 194-6.5°, coronary dilator and antispasmodic activity (CD) 0.9 (relative to papaverine-HCl as unity); 1-cyclopentylmethyl, 74%, m. 200-2°, CD 0.6; 1-β-cyclopentylethyl, 57%, m. 158-62.5°, CD 1; cyclohexyl, 41%, m. 166-8°, CD 1; 1-β-cyclohexylethyl, 56%, m. 203-4°, CD 0.3.

Journal of Organic Chemistry published new progress about 18928-94-4. 18928-94-4 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic cyclic hydrocarbon, name is (2-Bromoethyl)cyclopentane, and the molecular formula is C9H8O4, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Karlstroem, Sofia published the artcileSubstituted 7-Amino-5-thio-thiazolo[4,5-d]pyrimidines as Potent and Selective Antagonists of the Fractalkine Receptor (CX₃CR1), HPLC of Formula: 76283-09-5, the publication is Journal of Medicinal Chemistry (2013), 56(8), 3177-3190, database is CAplus and MEDLINE.

The authors have developed two parallel series, A and B, of CX₃CR1 antagonists for the treatment of multiple sclerosis. By modifying the substituents on the 7-amino-5-thio-thiazolo[4,5-d]pyrimidine core structure, they were able to achieve compounds with high selectivity for CX₃CR1 over the closely related CXCR2 receptor. The structure-activity relationships showed that a leucinol moiety attached to the core-structure in the 7-position together with α-Me branched benzyl derivatives in the 5-position displayed promising affinity, and selectivity as well as physicochem. properties, as exemplified by compounds I and II. They show the preparation of the first potent and selective orally available CX₃CR1 antagonists.

Journal of Medicinal Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C7H5Br2F, HPLC of Formula: 76283-09-5.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Grote, Michaela published the artcileSyntheses of novel modified acyclic purine and pyrimidine nucleosides as potential substrates of herpes simplex virus type-1 thymidine kinase for monitoring gene expression, Safety of 5-(2-Bromoethyl)-2,2-dimethyl-1,3-dioxane, the publication is Canadian Journal of Chemistry (2004), 82(4), 513-523, database is CAplus.

Suicide gene therapy with the herpes simplex virus type-1 thymidine kinase gene (HSV-1 tk) is considered to be a promising approach to the treatment of cancer. Making use of the lower specificity of the viral enzyme compared to human thymidine kinase, the therapy involves the administration of antiviral agents (e.g., ganciclovir) as prodrugs to induce enzymic cell death in those cells that express the transferred gene. ¹⁸F-labeled derivatives have been described for monitoring location, duration, and magnitude of the viral kinase enzyme activity by positron emission tomog. (PET). Since an optimal radiotracer has not been developed, novel substances were synthesized for monitoring gene expression. A group of 13 nucleoside analogs were synthesized, among them N¹-methyl-9-[(1,3-dihydroxy-2-propoxy)methyl]guanine and N¹-methyl-9-[(4-hydroxy)-3-hydroxymethylbutyl]guanine as Me analogs of ganciclovir and penciclovir and their related fluoro compounds Further novel derivatives include N⁶-methyl-9-[(1,3-dihydroxy-2-propoxy)methyl]-, N⁶-methyl-9-[(4-hydroxy)-3-hydroxymethylbutyl]adenine, as well as the uracil derivatives 5-hydroxy-1-[(1,3-dihydroxy-2-propoxy)methyl]uracil, 6-methyl-1-[(1,3-dihydroxy-2-propoxy)-methyl]uracil, and its 3-fluoro-derivative

Canadian Journal of Chemistry published new progress about 97845-58-4. 97845-58-4 belongs to bromides-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Bromide, name is 5-(2-Bromoethyl)-2,2-dimethyl-1,3-dioxane, and the molecular formula is C8H15BrO2, Safety of 5-(2-Bromoethyl)-2,2-dimethyl-1,3-dioxane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Sugita, Hajime published the artcileUnusual cyclic polymerization through Suzuki-Miyaura coupling of polyphenylene bearing diboronate at both ends with excess dibromophenylene, Recommanded Product: Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, the publication is Chemical Communications (Cambridge, United Kingdom) (2017), 53(2), 396-399, database is CAplus and MEDLINE.

The Suzuki-Miyaura coupling polymerization of p-dibromophenylene and m-phenylenediboronic acid ester, as well as m-dibromophenylene and p-phenylenediboronic acid ester, and the combination of two meta-phenylene monomers in the presence of the t-Bu₃PPd(0) catalyst selectively afforded cyclic polyphenylenes with polyphenylene bearing boronate moieties at both ends when excess dibromophenylene was used.

Chemical Communications (Cambridge, United Kingdom) published new progress about 111865-47-5. 111865-47-5 belongs to bromides-buliding-blocks, auxiliary class Benzenes, name is Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, and the molecular formula is C5H11NO2S, Recommanded Product: Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary